Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T65864 | Target Info | |||
| Target Name | Stress-activated protein kinase 2a (p38 alpha) | ||||
| Synonyms | SAPK2A; P38 mitogen activatedprotein kinase; P38 Mitogen-activatedprotein kinase alpha; Mitogen-activated protein kinase p38 alpha; Mitogen-activated protein kinase 14; MXI2; MAX-interacting protein 2; MAPK 14; MAP kinase p38alpha; MAP kinase p38 alpha; MAP kinase MXI2; MAP kinase 14; Cytokine suppressive anti-inflammatory drug-binding protein; Cytokine suppressive anti-inflammatory drug binding protein; CSPB1; CSBP2; CSBP1; CSBP; CSAID-binding protein; CSAID binding protein; CRK1 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | MAPK14 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | B-Octylglucoside | Ligand Info | |||
| Canonical SMILES | CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O | ||||
| InChI | 1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1 | ||||
| InChIKey | HEGSGKPQLMEBJL-RKQHYHRCSA-N | ||||
| PubChem Compound ID | 62852 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3LFF Human p38 MAP Kinase in Complex with RL166 | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGA34 YGSVCAAFDT44 KTGLRVAVKK54 LSRPFQSIIH 64 AKRTYRELRL74 LKHMKHENVI84 GLLDVFTPAR94 SLEEFNDVYL104 VTHLMGADLN 114 NIVKSQKLTD124 DHVQFLIYQI134 LRGLKYIHSA144 DIIHRDLKPS154 NLAVNEDSEL 164 KILDFGATRW187 YRAPEIMLNW197 MHYNQTVDIW207 SVGCIMAELL217 TGRTLFPGTD 227 HIDQLKLILR237 LVGTPGAELL247 KKISSESARN257 YIQSLTQMPK267 MNFANVFIGA 277 NPLAVDLLEK287 MLVLDSDKRI297 TAAQALAHAY307 FAQYHDPDDE317 PVADPYDQSL 327 ESRDLLIDEW337 KSLTYDEVIS347 FVPPP
|
|||||
|
|
PRO191
4.170
GLU192
3.607
LEU195
2.680
ASN196
2.974
TRP197
3.530
MET198
3.265
HIS199
3.180
TYR200
3.499
ASN201
3.841
ILE229
3.845
LEU232
3.703
LEU236
3.985
PRO242
3.995
LEU246
3.280
|
|||||
| PDB ID: 3OEF Crystal structure of Y323F inactive mutant of p38alpha MAP kinase | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [2] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGA34 YGSVCAAFDT44 KTGLRVAVKK54 LSRPFQSIIH 64 AKRTYRELRL74 LKHMKHENVI84 GLLDVFTPAR94 SLEEFNDVYL104 VTHLMGADLN 114 NIVKCQKLTD124 DHVQFLIYQI134 LRGLKYIHSA144 DIIHRDLKPS154 NLAVNEDCEL 164 KILDFGLART185 RWYRAPEIML195 NWMHYNQTVD205 IWSVGCIMAE215 LLTGRTLFPG 225 TDHIDQLKLI235 LRLVGTPGAE245 LLKKISSESA255 RNYIQSLTKM268 NFANVFIGAN 278 PLAVDLLEKM288 LVLDSDKRIT298 AAQALAHAYF308 AQYHDPDDEP318 VADPFDQSFE 328 SRDLLIDEWK338 SLTYDEVISF348 VPPP
|
|||||
|
|
PRO191
4.025
GLU192
3.668
LEU195
3.220
ASN196
3.577
TRP197
3.447
MET198
3.875
HIS199
2.982
TYR200
3.995
ASN201
3.557
ILE229
4.114
LEU232
3.795
ILE235
4.152
LEU236
3.702
PRO242
4.721
|
|||||
| PDB ID: 3HUC Human p38 MAP Kinase in Complex with RL40 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [3] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG33 AYGSVCAAFD43 TKTGLRVAVK53 KLSRPFQSII 63 HAKRTYRELR73 LLKHMKHENV83 IGLLDVFTPA93 RSLEEFNDVY103 LVTHLMGADL 113 NNIVKCQKLT123 DDHVQFLIYQ133 ILRGLKYIHS143 ADIIHRDLKP153 SNLAVNEDCE 163 LKILDFGVAT185 RWYRAPEIML195 NWMHYNQTVD205 IWSVGCIMAE215 LLTGRTLFPG 225 TDHIDQLKLI235 LRLVGTPGAE245 LLKKISSESA255 RNYIQSLTQM265 PKMNFANVFI 275 GANPLAVDLL285 EKMLVLDSDK295 RITAAQALAH305 AYFAQYHDPD315 DEPVADPYDQ 325 SFESRDLLID335 EWKSLTYDEV345 ISFVPPP
|
|||||
|
|
||||||
| PDB ID: 5MTX Dibenzooxepinone inhibitor 12b in complex with p38 MAPK | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [4] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSYG36 SVCAAFDTKT46 GLRVAVKKLS56 RPFQSIIHAK 66 RTYRELRLLK76 HMKHENVIGL86 LDVFTPARSL96 EEFNDVYLVT106 HLMGADLNNI 116 VKCQKLTDDH126 VQFLIYQILR136 GLKYIHSADI146 IHRDLKPSNL156 AVNEDCELKI 166 LDFGLTRWYR189 APEIMLNWMH199 YNQTVDIWSV209 GCIMAELLTG219 RTLFPGTDHI 229 DQLKLILRLV239 GTPGAELLKK249 ISSESARNYI259 QSLMPKMNFA271 NVFIGANPLA 281 VDLLEKMLVL291 DSDKRITAAQ301 ALAHAYFAQY311 HDPDDEPVAD321 PYDQSFESRD 331 LLIDEWKSLT341 YDEVISFVPP351 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:251 or .A:252 or .A:255 or .A:258 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
4.308
GLU192
3.711
LEU195
3.883
ASN196
3.794
TRP197
3.417
MET198
3.231
HIS199
3.015
TYR200
3.683
ASN201
4.124
LEU232
4.787
LEU236
4.183
PRO242
4.198
LEU246
3.378
|
|||||
| PDB ID: 5ML5 Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [5] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSYG36 SVCAAFDTKT46 GLRVAVKKLS56 RPFQSIIHAK 66 RTYRELRLLK76 HMKHENVIGL86 LDVFTPARSL96 EEFNDVYLVT106 HLMGADLNNI 116 VKCQKLTDDH126 VQFLIYQILR136 GLKYIHSADI146 IHRDLKPSNL156 AVNEDCELKI 166 LDFGTRWYRA190 PEIMLNWMHY200 NQTVDIWSVG210 CIMAELLTGR220 TLFPGTDHID 230 QLKLILRLVG240 TPGAELLKKI250 SSESARNYIQ260 SLTFANVFIG276 ANPLAVDLLE 286 KMLVLDSDKR296 ITAAQALAHA306 YFAQYHDPDD316 EPVADPYDQS326 FESRDLLIDE 336 WKSLTYDEVI346 SFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:70 or .A:74 or .A:78 or .A:83 or .A:84 or .A:141 or .A:146 or .A:147 or .A:148 or .A:149 or .A:166 or .A:167 or .A:168 or .A:191 or .A:192 or .A:195 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:229 or .A:232 or .A:235 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:251 or .A:252 or .A:255 or .A:258 or .A:259 or .A:262 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296 or .A:325 or .A:328; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG70
3.628
LEU74
3.849
MET78
4.699
VAL83
3.895
ILE84
3.672
ILE141
4.145
ILE146
3.906
ILE147
3.576
HIS148
3.776
ARG149
3.933
ILE166
4.092
LEU167
4.310
ASP168
3.789
PRO191
3.992
GLU192
3.760
LEU195
3.941
ASN196
3.800
TRP197
3.432
MET198
3.100
HIS199
2.980
TYR200
3.789
ASN201
4.022
|
|||||
| PDB ID: 3HV6 Human p38 MAP Kinase in Complex with RL39 | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [6] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSS37 VCAAFDTKTG47 LRVAVKKLSR57 PFQSIIHAKR 67 TYRELRLLKH77 MKHENVIGLL87 DVFTPARSLE97 EFNDVYLVTH107 LMGADLNNIV 117 KKLTDDHVQF129 LIYQILRGLK139 YIHSADIIHR149 DLKPSNLAVN159 EDCELKILDF 169 GVATRWYRAP191 EIMLNWMHYN201 QTVDIWSVGC211 IMAELLTGRT221 LFPGTDHIDQ 231 LKLILRLVGT241 PGAELLKKIS251 SESARNYIQS261 LTQMPKMNFA271 NVFIGANPLA 281 VDLLEKMLVL291 DSDKRITAAQ301 ALAHAYFAQY311 HDPDDEPVAD321 PYDQSFESRD 331 LLIDEWKSLT341 YDEVISFVPP351 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:251 or .A:252 or .A:254 or .A:255 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
4.107
GLU192
3.680
LEU195
3.251
ASN196
3.380
TRP197
3.535
MET198
2.848
HIS199
3.460
TYR200
3.248
ASN201
3.378
LEU232
4.035
LEU236
3.709
PRO242
4.248
LEU246
3.197
|
|||||
| PDB ID: 1ZYJ Human P38 MAP Kinase in Complex with Inhibitor 1a | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [7] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGGSV38 CAAFDTKTGL48 RVAVKKLSRP58 FQSIIHAKRT 68 YRELRLLKHM78 KHENVIGLLD88 VFTPARSLEE98 FNDVYLVTHL108 MGADLNNIVK 118 CQKLTDDHVQ128 FLIYQILRGL138 KYIHSADIIH148 RDLKPSNLAV158 NEDCELKILD 168 FGLTRWYRAP191 EIMLNWMHYN201 QTVDIWSVGC211 IMAELLTGRT221 LFPGTDHIDQ 231 LKLILRLVGT241 PGAELLKKIS251 SESARNYIQS261 LTQMPKMNFA271 NVFIGANPLA 281 VDLLEKMLVL291 DSDKRITAAQ301 ALAHAYFAQY311 HDPDDEPVAD321 PYDQSFESRD 331 LLIDEWKSLT341 YDEVISFVPP351 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1ZZ2 Two Classes of p38alpha MAP Kinase Inhibitors Having a Common Diphenylether Core but Exhibiting Divergent Binding Modes | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [7] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGA34 YGSVCAAFDT44 KTGLRVAVKK54 LSRPFQSIIH 64 AKRTYRELRL74 LKHMKHENVI84 GLLDVFTPAR94 SLEEFNDVYL104 VTHLMGADLN 114 NIVKCQKLTD124 DHVQFLIYQI134 LRGLKYIHSA144 DIIHRDLKPS154 NLAVNEDCEL 164 KILDFGLAAT185 RWYRAPEIML195 NWMHYNQTVD205 IWSVGCIMAE215 LLTGRTLFPG 225 TDHIDQLKLI235 LRLVGTPGAE245 LLKKISSESA255 RNYIQSLTQM265 PKMNFANVFI 275 GANPLAVDLL285 EKMLVLDSDK295 RITAAQALAH305 AYFAQYHDPD315 DEPVADPYDQ 325 SFESRDLLID335 EWKSLTYDEV345 ISFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3GCQ Human P38 MAP kinase in complex with RL45 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [8] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG36 SVCAAFDTKT46 GLRVAVKKLS56 RPFQSIIHAK 66 RTYRELRLLK76 HMKHENVIGL86 LDVFTPARSL96 EEFNDVYLVT106 HLMGADLNNI 116 VKSQKLTDDH126 VQFLIYQILR136 GLKYIHSADI146 IHRDLKPSNL156 AVNEDSELKI 166 LDFGVATRWY188 RAPEIMLNWM198 HYNQTVDIWS208 VGCIMAELLT218 GRTLFPGTDH 228 IDQLKLILRL238 VGTPGAELLK248 KISSESARNY258 IQSLTQMPKM268 NFANVFIGAN 278 PLAVDLLEKM288 LVLDSDKRIT298 AAQALAHAYF308 AQYHDPDDEP318 VADPYDQSLE 328 SRDLLIDEWK338 SLTYDEVISF348 VPPPLDQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:258 or .A:259 or .A:262 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
4.480
GLU192
3.653
LEU195
4.661
TRP197
3.324
HIS199
2.903
TYR200
3.445
ASN201
3.187
LEU232
3.701
LEU236
3.835
PRO242
4.177
LEU246
3.374
|
|||||
| PDB ID: 3HV3 Human p38 MAP Kinase in Complex with RL49 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [6] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG36 SVCAAFDTKT46 GLRVAVKKLS56 RPFQSIIHAK 66 RTYRELRLLK76 HMKHENVIGL86 LDVFTPARSL96 EEFNDVYLVT106 HLMGADLNNI 116 VKSQKLTDDH126 VQFLIYQILR136 GLKYIHSADI146 IHRDLKPSNL156 AVNEDSELKI 166 LDFGVATRWY188 RAPEIMLNWM198 HYNQTVDIWS208 VGCIMAELLT218 GRTLFPGTDH 228 IDQLKLILRL238 VGTPGAELLK248 KISSESARNY258 IQSLTQMPKM268 NFANVFIGAN 278 PLAVDLLEKM288 LVLDSDKRIT298 AAQALAHAYF308 AQYHDPDDEP318 VADPYDQSLE 328 SRDLLIDEWK338 SLTYDEVISF348 VPPPL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3IW8 Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [9] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSY35 GSVCAAFDTK45 TGLRVAVKKL55 SRPFQSIIHA 65 KRTYRELRLL75 KHMKHENVIG85 LLDVFTPARS95 LEEFNDVYLV105 THLMGADLNN 115 IVKSQKLTDD125 HVQFLIYQIL135 RGLKYIHSAD145 IIHRDLKPSN155 LAVNEDSELK 165 ILDFGATRWY188 RAPEIMLNWM198 HYNQTVDIWS208 VGCIMAELLT218 GRTLFPGTDH 228 IDQLKLILRL238 VGTPGAELLK248 KISSESARNY258 IQSLTQMPKM268 NFANVFIGAN 278 PLAVDLLEKM288 LVLDSDKRIT298 AAQALAHAYF308 AQYHDPDDEP318 VADPYDQSLE 328 SRDLLIDEWK338 SLTYDEVISF348 VPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3MH0 Mutagenesis of p38 MAP Kinase eshtablishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [10] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGGSV38 CAAFDTKTGL48 RVAVKKLSRP58 FQSIIHAKRT 68 YRELRLLKHM78 KHENVIGLLD88 VFTPARSLEE98 FNDVYLVTHL108 MGADLNNIVK 118 CQKLTDDHVQ128 FLIYQILRGL138 KYIHSADIIH148 RDLKPSNLAV158 NEDCELKILD 168 AGLATRWYRA190 PEIMLNWMHY200 NQTVDIWSVG210 CIMAELLTGR220 TLFPGTDHID 230 QLKLILRLVG240 TPGAELLKKI250 SSESARNYIQ260 SLTQMPKMNF270 ANVFIGANPL 280 AVDLLEKMLV290 LDSDKRITAA300 QALAHAYFAQ310 YHDPDDEPVA320 DPYDQSFESR 330 DLLIDEWKSL340 TYDEVISFVP350 PP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3O8T Conformational plasticity of p38 MAP kinase DFG-motif mutants in response to inhibitor binding | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [11] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGS37 VCAAFDTKTG47 LRVAVKKLSR57 PFQSIIHAKR 67 TYRELRLLKH77 MKHENVIGLL87 DVFTPARSLE97 EFNDVYLVTH107 LMGADLNNIV 117 KCQKLTDDHV127 QFLIYQILRG137 LKYIHSADII147 HRDLKPSNLA157 VNEDCELKIL 167 DAGATRWYRA190 PEIMLNWMHY200 NQTVDIWSVG210 CIMAELLTGR220 TLFPGTDHID 230 QLKLILRLVG240 TPGAELLKKI250 SSESARNYIQ260 SLTQMPKMNF270 ANVFIGANPL 280 AVDLLEKMLV290 LDSDKRITAA300 QALAHAYFAQ310 YHDPDDEPVA320 DPYDQSFESR 330 DLLIDEWKSL340 TYDEVISFVP350 PP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3PG3 Human p38 MAP Kinase in Complex with RL182 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [12] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG33 AYGSVCAAFD43 TKTGLRVAVK53 KLSRPFQSII 63 HAKRTYRELR73 LLKHMKHENV83 IGLLDVFTPA93 RSLEEFNDVY103 LVTHLMGADL 113 NNIVKSQKLT123 DDHVQFLIYQ133 ILRGLKYIHS143 ADIIHRDLKP153 SNLAVNEDSE 163 LKILDFGATR186 WYRAPEIMLN196 WMHYNQTVDI206 WSVGCIMAEL216 LTGRTLFPGT 226 DHIDQLKLIL236 RLVGTPGAEL246 LKKISSESAR256 NYIQSLTQMP266 KMNFANVFIG 276 ANPLAVDLLE286 KMLVLDSDKR296 ITAAQALAHA306 YFAQYHDPDD316 EPVADPYDQS 326 LESRDLLIDE336 WKSLTYDEVI346 SFVPPPL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3QUD Human p38 MAP Kinase in Complex with 2-amino-phenylamino-benzophenone | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [13] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG33 AYGSVCAAFD43 TKTGLRVAVK53 KLSRPFQSII 63 HAKRTYRELR73 LLKHMKHENV83 IGLLDVFTPA93 RSLEEFNDVY103 LVTHLMGADL 113 NNIVKCQKLT123 DDHVQFLIYQ133 ILRGLKYIHS143 ADIIHRDLKP153 SNLAVNEDCE 163 LKILDFGLAR173 HTDVATRWYR189 APEIMLNWMH199 YNQTVDIWSV209 GCIMAELLTG 219 RTLFPGTDHI229 DQLKLILRLV239 GTPGAELLKK249 ISSESARNYI259 QSLTQMPKMN 269 FANVFIGANP279 LAVDLLEKML289 VLDSDKRITA299 AQALAHAYFA309 QYHDPDDEPV 319 ADPYDQSFES329 RDLLIDEWKS339 LTYDEVISFV349 PPPLD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:35 or .A:67 or .A:70 or .A:74 or .A:75 or .A:78 or .A:83 or .A:84 or .A:141 or .A:146 or .A:147 or .A:148 or .A:149 or .A:150 or .A:166 or .A:167 or .A:168 or .A:169 or .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR35
3.176
ARG67
4.323
ARG70
4.168
LEU74
3.519
LEU75
4.366
MET78
3.818
VAL83
3.654
ILE84
3.717
ILE141
3.936
ILE146
4.035
ILE147
4.600
HIS148
2.782
ARG149
3.041
ASP150
3.591
ILE166
4.262
LEU167
4.514
ASP168
3.685
PHE169
3.602
PRO191
3.995
|
|||||
| PDB ID: 5OMG p38alpha in complex with pyrazolobenzothiazine inhibitor COXP4M12 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [14] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG33 AYGSVCAAFD43 TKTGLRVAVK53 KLSRPFQSII 63 HAKRTYRELR73 LLKHMKHENV83 IGLLDVFTPA93 RSLEEFNDVY103 LVTHLMGADL 113 NNIVKLTDDH126 VQFLIYQILR136 GLKYIHSADI146 IHRDLKPSNL156 AVNEDCELKI 166 LDFGLAVATR186 WYRAPEIMLN196 WMHYNQTVDI206 WSVGCIMAEL216 LTGRTLFPGT 226 DHIDQLKLIL236 RLVGTPGAEL246 LKKISSESAR256 NYIQSLTQMP266 KMNFANVFIG 276 ANPLAVDLLE286 KMLVLDSDKR296 ITAAQALAHA306 YFAQYHDPDD316 EPVADPYDQS 326 FESRDLLIDE336 WKSLTYDEVI346 SFVPPPL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3GCS Human P38 MAP kinase in complex with Sorafenib | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [8] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGYGS37 VCAAFDTKTG47 LRVAVKKLSR57 PFQSIIHAKR 67 TYRELRLLKH77 MKHENVIGLL87 DVFTPARSLE97 EFNDVYLVTH107 LMGADLNNIV 117 KSQKLTDDHV127 QFLIYQILRG137 LKYIHSADII147 HRDLKPSNLA157 VNEDSELKIL 167 DFGTRWYRAP191 EIMLNWMHYN201 QTVDIWSVGC211 IMAELLTGRT221 LFPGTDHIDQ 231 LKLILRLVGT241 PGAELLKKIS251 SESARNYIQS261 LTQMPKMNFA271 NVFIGANPLA 281 VDLLEKMLVL291 DSDKRITAAQ301 ALAHAYFAQY311 HDPDDEPVAD321 PYDQSLESRD 331 LLIDEWKSLT341 YDEVISFVPP351 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:258 or .A:259 or .A:262 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
4.155
GLU192
3.611
LEU195
3.707
TRP197
3.174
HIS199
2.502
TYR200
3.368
ASN201
3.646
LEU232
4.312
LEU236
4.143
PRO242
4.076
|
|||||
| PDB ID: 3GCU Human P38 MAP kinase in complex with RL48 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [8] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG33 AYGSVCAAFD43 TKTGLRVAVK53 KLSRPFQSII 63 HAKRTYRELR73 LLKHMKHENV83 IGLLDVFTPA93 RSLEEFNDVY103 LVTHLMGADL 113 NNIVKCQKLT123 DDHVQFLIYQ133 ILRGLKYIHS143 ADIIHRDLKP153 SNLAVNEDCE 163 LKILDFGLAV183 ATRWYRAPEI193 MLNWMHYNQT203 VDIWSVGCIM213 AELLTGRTLF 223 PGTDHIDQLK233 LILRLVGTPG243 AELLKKISSE253 SARNYIQSLT263 QMPKMNFANV 273 FIGANPLAVD283 LLEKMLVLDS293 DKRITAAQAL303 AHAYFAQYHD313 PDDEPVADPY 323 DQSFESRDLL333 IDEWKSLTYD343 EVISFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:251 or .A:255 or .A:258 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
4.231
GLU192
3.566
LEU195
3.523
ASN196
3.963
TRP197
3.521
MET198
3.208
HIS199
2.974
TYR200
3.528
ASN201
3.856
LEU232
4.649
LEU236
3.874
PRO242
3.677
|
|||||
| PDB ID: 3IW6 Human p38 MAP Kinase in Complex with a Benzylpiperazin-Pyrrol | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [9] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSY35 GSVCAAFDTK45 TGLRVAVKKL55 SRPFQSIIHA 65 KRTYRELRLL75 KHMKHENVIG85 LLDVFTPARS95 LEEFNDVYLV105 THLMGADLNN 115 IVKSQKLTDD125 HVQFLIYQIL135 RGLKYIHSAD145 IIHRDLKPSN155 LAVNEDSELK 165 ILDFGLVATR186 WYRAPEIMLN196 WMHYNQTVDI206 WSVGCIMAEL216 LTGRTLFPGT 226 DHIDQLKLIL236 RLVGTPGAEL246 LKKISSESAR256 NYIQSLTQMP266 KMNFANVFIG 276 ANPLAVDLLE286 KMLVLDSDKR296 ITAAQALAHA306 YFAQYHDPDD316 EPVADPYDQS 326 LESRDLLIDE336 WKSLTYDEVI346 SFVPPPL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:70 or .A:74 or .A:75 or .A:78 or .A:83 or .A:84 or .A:141 or .A:146 or .A:147 or .A:148 or .A:149 or .A:166 or .A:167 or .A:168 or .A:169 or .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:229 or .A:232 or .A:233 or .A:236 or .A:242 or .A:246 or .A:249 or .A:255 or .A:258 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG70
3.935
LEU74
3.663
LEU75
4.586
MET78
4.187
VAL83
3.855
ILE84
4.109
ILE141
4.053
ILE146
3.623
ILE147
2.655
HIS148
3.139
ARG149
3.181
ILE166
4.530
LEU167
4.354
ASP168
3.771
PHE169
4.235
PRO191
3.969
GLU192
3.586
LEU195
3.619
TRP197
3.183
|
|||||
| PDB ID: 3LFA Human p38 MAP Kinase in Complex with Dasatinib | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [15] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSY35 GSVCAAFDTK45 TGLRVAVKKL55 SRPFQSIIHA 65 KRTYRELRLL75 KHMKHENVIG85 LLDVFTPARS95 LEEFNDVYLV105 THLMGADLNN 115 IVKCQKLTDD125 HVQFLIYQIL135 RGLKYIHSAD145 IIHRDLKPSN155 LAVNEDCELK 165 ILDATRWYRA190 PEIMLNWMHY200 NQTVDIWSVG210 CIMAELLTGR220 TLFPGTDHID 230 QLKLILRLVG240 TPGAELLKKI250 SSESARNYIQ260 SLTQMPKMNF270 ANVFIGANPL 280 AVDLLEKMLV290 LDSDKRITAA300 QALAHAYFAQ310 YHDPDDEPVA320 DPYDQSFESR 330 DLLIDEWKSL340 TYDEVISFVP350 PPL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3MGY Mutagenesis of p38 MAP Kinase eshtablishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [10] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGGSV38 CAAFDTKTGL48 RVAVKKLSRP58 FQSIIHAKRT 68 YRELRLLKHM78 KHENVIGLLD88 VFTPARSLEE98 FNDVYLVTHL108 MGADLNNIVK 118 CQKLTDDHVQ128 FLIYQILRGL138 KYIHSADIIH148 RDLKPSNLAV158 NEDCELKILD 168 FTRWYRAPEI193 MLNWMHYNQT203 VDIWSVGCIM213 AELLTGRTLF223 PGTDHIDQLK 233 LILRLVGTPG243 AELLKKISSE253 SARNYIQSLT263 QMPKMNFANV273 FIGANPLAVD 283 LLEKMLVLDS293 DKRITAAQAL303 AHAYFAQYHD313 PDDEPVADPY323 DQSFESRDLL 333 IDEWKSLTYD343 EVISFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3MPA Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [16] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGS37 VCAAFDTKTG47 LRVAVKKLSR57 PFQSIIHAKR 67 TYRELRLLKH77 MKHENVIGLL87 DVFTPARSLE97 EFNDVYLVTH107 LMGADLNNIV 117 KCQKLTDDHV127 QFLIYQILRG137 LKYIHSADII147 HRDLKPSNLA157 VNEDCELKIL 167 GFGTRWYRAP191 EIMLNWMHYN201 QTVDIWSVGC211 IMAELLTGRT221 LFPGTDHIDQ 231 LKLILRLVGT241 PGAELLKKIS251 SESARNYIQS261 LTQMPKMNFA271 NVFIGANPLA 281 VDLLEKMLVL291 DSDKRITAAQ301 ALAHAYFAQY311 HDPDDEPVAD321 PYDQSFESRD 331 LLIDEWKSLT341 YDEVISFVPP351 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:235 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
3.959
GLU192
3.829
LEU195
3.573
TRP197
3.472
HIS199
2.681
TYR200
3.490
ASN201
4.050
LEU232
4.189
ILE235
4.576
LEU236
3.748
|
|||||
| PDB ID: 3O8P Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [17] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGA34 YGSVCAAFDT44 KTGLRVAVKK54 LSRPFQSIIH 64 AKRTYRELRL74 LKHMKHENVI84 GLLDVFTPAR94 SLEEFNDVYL104 VTHLMGADLN 114 NIVKCQKLTD124 DHVQFLIYQI134 LRGLKYIHSA144 DIIHRDLKPS154 NLAVNEDCEL 164 KILGFGLVAT185 RWYRAPEIML195 NWMHYNQTVD205 IWSVGCIMAE215 LLTGRTLFPG 225 TDHIDQLKLI235 LRLVGTPGAE245 LLKKISSESA255 RNYIQSLTQM265 PKMNFANVFI 275 GANPLAVDLL285 EKMLVLDSDK295 RITAAQALAH305 AYFAQYHDPD315 DEPVADPYDQ 325 SFESRDLLID335 EWKSLTYDEV345 ISFVPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:235 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3O8U Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [18] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGS37 VCAAFDTKTG47 LRVAVKKLSR57 PFQSIIHAKR 67 TYRELRLLKH77 MKHENVIGLL87 DVFTPARSLE97 EFNDVYLVTH107 LMGADLNNIV 117 KCQKLTDDHV127 QFLIYQILRG137 LKYIHSADII147 HRDLKPSNLA157 VNEDCELKIL 167 DYGATRWYRA190 PEIMLNWMHY200 NQTVDIWSVG210 CIMAELLTGR220 TLFPGTDHID 230 QLKLILRLVG240 TPGAELLKKI250 SSESARNYIQ260 SLTQMPKMNF270 ANVFIGANPL 280 AVDLLEKMLV290 LDSDKRITAA300 QALAHAYFAQ310 YHDPDDEPVA320 DPYDQSFESR 330 DLLIDEWKSL340 TYDEVISFVP350 PP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3UVR Human p38 MAP Kinase in Complex with KM064 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [19] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGA34 YGSVCAAFDT44 KTGLRVAVKK54 LSRPFQSIIH 64 AKRTYRELRL74 LKHMKHENVI84 GLLDVFTPAR94 SLEEFNDVYL104 VTHLMGADLN 114 NIVKCQKLTD124 DHVQFLIYQI134 LRGLKYIHSA144 DIIHRDLKPS154 NLAVNEDCEL 164 KILDFGLATR186 WYRAPEIMLN196 WMHYNQTVDI206 WSVGCIMAEL216 LTGRTLFPGT 226 DHIDQLKLIL236 RLVGTPGAEL246 LKKISSESAR256 NYIQSLKMNF270 ANVFIGANPL 280 AVDLLEKMLV290 LDSDKRITAA300 QALAHAYFAQ310 YHDPDDEPVA320 DPYDQSFESR 330 DLLIDEWKSL340 TYDEVISFVP350 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:196 or .A:197 or .A:199 or .A:200 or .A:201 or .A:229 or .A:232 or .A:235 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:251 or .A:252 or .A:255 or .A:258 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
3.883
GLU192
3.597
LEU195
3.781
ASN196
3.681
TRP197
3.383
HIS199
2.576
TYR200
3.547
ASN201
3.355
ILE229
3.661
LEU232
3.758
ILE235
4.708
LEU236
3.626
PRO242
4.554
|
|||||
| PDB ID: 4L8M Human p38 MAP kinase in complex with a Dibenzoxepinone | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [20] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGA34 YGSVCAAFDT44 KTGLRVAVKK54 LSRPFQSIIH 64 AKRTYRELRL74 LKHMKHENVI84 GLLDVFTPAR94 SLEEFNDVYL104 VTHLMGADLN 114 NIVKKLTDDH126 VQFLIYQILR136 GLKYIHSADI146 IHRDLKPSNL156 AVNEDCELKI 166 LDFGLARHTV183 ATRWYRAPEI193 MLNWMHYNQT203 VDIWSVGCIM213 AELLTGRTLF 223 PGTDHIDQLK233 LILRLVGTPG243 AELLKKISSE253 SARNYIQSLT263 QMPKMNFANV 273 FIGANPLAVD283 LLEKMLVLDS293 DKRITAAQAL303 AHAYFAQYHD313 PDDEPVADPY 323 DQSFESRDLL333 IDEWKSLTYD343 EVISFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:70 or .A:74 or .A:78 or .A:83 or .A:84 or .A:141 or .A:146 or .A:147 or .A:148 or .A:149 or .A:166 or .A:167 or .A:168 or .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:262 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296 or .A:325 or .A:328; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG70
3.923
LEU74
3.642
MET78
3.706
VAL83
3.403
ILE84
3.435
ILE141
3.880
ILE146
3.666
ILE147
3.168
HIS148
3.423
ARG149
3.296
ILE166
4.083
LEU167
4.154
ASP168
3.039
PRO191
3.876
GLU192
3.669
LEU195
3.249
TRP197
3.368
|
|||||
| PDB ID: 5TCO Human p38 MAP Kinase in Complex with Dibenzosuberone Compound 1 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [21] |
| PDB Sequence |
PTFYRQELNK
15 TIWEVPERYQ25 NLSPVGSSVC39 AAFDTKTGLR49 VAVKKLSRPF59 QSIIHAKRTY 69 RELRLLKHMK79 HENVIGLLDV89 FTPARSLEEF99 NDVYLVTHLM109 GADLNNIVKC 119 QKLTDDHVQF129 LIYQILRGLK139 YIHSADIIHR149 DLKPSNLAVN159 EDCELKILDF 169 GLTRWYRAPE192 IMLNWMHYNQ202 TVDIWSVGCI212 MAELLTGRTL222 FPGTDHIDQL 232 KLILRLVGTP242 GAELLKKISS252 ESARNYIQSL262 TQMPKMNFAN272 GANPLAVDLL 285 EKMLVLDSDK295 RITAAQALAH305 AYFAQYHDPD315 DEPVADPYDQ325 SFESRDLLID 335 EWKSLTYDEV345 ISFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:196 or .A:197 or .A:199 or .A:200 or .A:201 or .A:229 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:251 or .A:252 or .A:255 or .A:258 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
4.399
GLU192
3.750
LEU195
3.873
ASN196
3.809
TRP197
3.524
HIS199
2.925
TYR200
3.744
ASN201
4.062
ILE229
4.557
LEU232
3.880
LEU236
3.851
PRO242
4.545
LEU246
3.303
|
|||||
| PDB ID: 3MH1 Mutagenesis of p38 MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [10] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGA34 YGSVCAAFDT44 KTGLRVAVKK54 LSRPFQSIIH 64 AKRTYRELRL74 LKHMKHENVI84 GLLDVFTPAR94 SLEEFNDVYL104 VTHLMGADLN 114 NIVKCQKLTD124 DHVQFLIYQI134 LRGLKYIHSA144 DIIHRDLKPS154 NLAVNEDCEL 164 KILDGGLVAT185 RWYRAPEIML195 NWMHYNQTVD205 IWSVGCIMAE215 LLTGRTLFPG 225 TDHIDQLKLI235 LRLVGTPGAE245 LLKKISSESA255 RNYIQSLTQM265 PKMNFANVFI 275 GANPLAVDLL285 EKMLVLDSDK295 RITAAQALAH305 AYFAQYHDPD315 DEPVADPYDQ 325 SFESRDLLID335 EWKSLTYDEV345 ISFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:232 or .A:235 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
3.794
GLU192
4.051
LEU195
3.880
TRP197
3.590
MET198
4.339
HIS199
3.099
TYR200
3.409
ASN201
4.118
LEU232
4.169
ILE235
4.137
|
|||||
| PDB ID: 3MH3 Mutagenesis of p38 MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [10] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSYG36 SVCAAFDTKT46 GLRVAVKKLS56 RPFQSIIHAK 66 RTYRELRLLK76 HMKHENVIGL86 LDVFTPARSL96 EEFNDVYLVT106 HLMGADLNNI 116 VKCQKLTDDH126 VQFLIYQILR136 GLKYIHSADI146 IHRDLKPSNL156 AVNEDCELKI 166 LDRGLATRWY188 RAPEIMLNWM198 HYNQTVDIWS208 VGCIMAELLT218 GRTLFPGTDH 228 IDQLKLILRL238 VGTPGAELLK248 KISSESARNY258 IQSLTQMPKM268 NFANVFIGAN 278 PLAVDLLEKM288 LVLDSDKRIT298 AAQALAHAYF308 AQYHDPDDEP318 VADPYDQSFE 328 SRDLLIDEWK338 SLTYDEVISF348 VPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:235 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
3.804
GLU192
3.799
LEU195
4.148
TRP197
3.703
HIS199
3.230
TYR200
3.875
ASN201
4.630
LEU232
4.210
ILE235
4.585
LEU236
3.700
|
|||||
| PDB ID: 3ODY Crystal structure of p38alpha Y323Q active mutant | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [2] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSV38 CAAFDTKTGL48 RVAVKKLSRP58 FQSIIHAKRT 68 YRELRLLKHM78 KHENVIGLLD88 VFTPARSLEE98 FNDVYLVTHL108 MGADLNNIVK 118 CQKLTDDHVQ128 FLIYQILRGL138 KYIHSADIIH148 RDLKPSNLAV158 NEDCELKILD 168 FGLAVATRWY188 RAPEIMLNWM198 HYNQTVDIWS208 VGCIMAELLT218 GRTLFPGTDH 228 IDQLKLILRL238 VGTPNYIQSL262 TQMPKMNFAN272 VFIGANPLAV282 DLLEKMLVLD 292 SDKRITAAQA302 LAHAYFAQYH312 DPDDEPVADP322 QDQSFESRDL332 LIDEWKSLTY 342 DEVISFVPPP352 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .X:191 or .X:192 or .X:195 or .X:197 or .X:199 or .X:200 or .X:201 or .X:232 or .X:236 or .X:242 or .X:259 or .X:291 or .X:292 or .X:293 or .X:294 or .X:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3UVQ Human p38 MAP Kinase in Complex with a Dibenzosuberone Derivative | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [22] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGA34 YGSVCAAFDT44 KTGLRVAVKK54 LSRPFQSIIH 64 AKRTYRELRL74 LKHMKHENVI84 GLLDVFTPAR94 SLEEFNDVYL104 VTHLMGADLN 114 NIVKLTDDHV127 QFLIYQILRG137 LKYIHSADII147 HRDLKPSNLA157 VNEDCELKIL 167 DFGLTRWYRA190 PEIMLNWMHY200 NQTVDIWSVG210 CIMAELLTGR220 TLFPGTDHID 230 QLKLILRLVG240 TPGAELLKKI250 SSESARNYIQ260 SLTQMPKMNF270 ANVFIGANPL 280 AVDLLEKMLV290 LDSDKRITAA300 QALAHAYFAQ310 YHDPDDEPVA320 DPYDQSFESR 330 DLLIDEWKSL340 TYDEVISFVP350 PPL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3GCP Human P38 MAP Kinase in Complex with SB203580 | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | Yes | [8] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG33 AYGSVCAAFD43 TKTGLRVAVK53 KLSRPFQSII 63 HAKRTYRELR73 LLKHMKHENV83 IGLLDVFTPA93 RSLEEFNDVY103 LVTHLMGADL 113 NNIVKSQKLT123 DDHVQFLIYQ133 ILRGLKYIHS143 ADIIHRDLKP153 SNLAVNEDSE 163 LKILDFGLCT185 RWYRAPEIML195 NWMHYNQTVD205 IWSVGCIMAE215 LLTGRTLFPG 225 TDHIDQLKLI235 LRLVGTPGAE245 LLKKISSESA255 RNYIQSLTQM265 PKMNFANVFI 275 GANPLAVDLL285 EKMLVLDSDK295 RITAAQALAH305 AYFAQYHDPD315 DEPVADPYDQ 325 SLESRDLLID335 EWKSLTYDEV345 ISFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:70 or .A:74 or .A:75 or .A:78 or .A:83 or .A:84 or .A:141 or .A:146 or .A:147 or .A:148 or .A:149 or .A:166 or .A:167 or .A:168 or .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:258 or .A:259 or .A:262 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG70
3.643
LEU74
3.827
LEU75
4.580
MET78
4.065
VAL83
3.673
ILE84
3.595
ILE141
3.857
ILE146
3.723
ILE147
2.896
HIS148
3.425
ARG149
2.793
ILE166
4.178
LEU167
4.206
ASP168
3.761
PRO191
4.206
GLU192
3.546
LEU195
3.903
|
|||||
| PDB ID: 3HUB Human p38 MAP Kinase in Complex with Scios-469 | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | Yes | [3] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG33 AYGSVCAAFD43 TKTGLRVAVK53 KLSRPFQSII 63 HAKRTYRELR73 LLKHMKHENV83 IGLLDVFTPA93 RSLEEFNDVY103 LVTHLMGADL 113 NNIVKSQKLT123 DDHVQFLIYQ133 ILRGLKYIHS143 ADIIHRDLKP153 SNLAVNEDSE 163 LKILDFGTRW187 YRAPEIMLNW197 MHYNQTVDIW207 SVGCIMAELL217 TGRTLFPGTD 227 HIDQLKLILR237 LVGTPGAELL247 KKISSESARN257 YIQSLTQMPK267 MNFANVFIGA 277 NPLAVDLLEK287 MLVLDSDKRI297 TAAQALAHAY307 FAQYHDPDDE317 PVADPYDQSL 327 ESRDLLIDEW337 KSLTYDEVIS347 FVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3HV5 Human p38 MAP Kinase in Complex with RL24 | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [6] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG33 AYGSVCAAFD43 TKTGLRVAVK53 KLSRPFQSII 63 HAKRTYRELR73 LLKHMKHENV83 IGLLDVFTPA93 RSLEEFNDVY103 LVTHLMGADL 113 NNIVKCQKLT123 DDHVQFLIYQ133 ILRGLKYIHS143 ADIIHRDLKP153 SNLAVNEDCE 163 LKILDFGLAV183 ATRWYRAPEI193 MLNWMHYNQT203 VDIWSVGCIM213 AELLTGRTLF 223 PGTDHIDQLK233 LILRLVGTPG243 AELLKKISSE253 SARNYIQSLT263 QMPKMNFANV 273 FIGANPLAVD283 LLEKMLVLDS293 DKRITAAQAL303 AHAYFAQYHD313 PDDEPVADPY 323 DQSFESRDLL333 IDEWKSLTYD343 EVISFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3GCV Human P38 MAP Kinase in Complex with RL62 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [8] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSY35 GSVCAAFDTK45 TGLRVAVKKL55 SRPFQSIIHA 65 KRTYRELRLL75 KHMKHENVIG85 LLDVFTPARS95 LEEFNDVYLV105 THLMGADLNN 115 IVKSQKLTDD125 HVQFLIYQIL135 RGLKYIHSAD145 IIHRDLKPSN155 LAVNEDSELK 165 ILDFGLCVAT185 RWYRAPEIML195 NWMHYNQTVD205 IWSVGCIMAE215 LLTGRTLFPG 225 TDHIDQLKLI235 LRLVGTPGAE245 LLKKISSESA255 RNYIQSLTQM265 PKMNFANVFI 275 GANPLAVDLL285 EKMLVLDSDK295 RITAAQALAH305 AYFAQYHDPD315 DEPVADPYDQ 325 SLESRDLLID335 EWKSLTYDEV345 ISFVPPPL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:229 or .A:232 or .A:233 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:254 or .A:255 or .A:258 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
4.030
GLU192
3.896
LEU195
3.115
TRP197
3.395
HIS199
2.882
TYR200
3.895
ASN201
3.340
ILE229
2.678
LEU232
3.802
LYS233
4.076
LEU236
4.152
PRO242
4.215
|
|||||
| PDB ID: 3LFE Human p38 MAP Kinase in Complex with RL116 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [23] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG36 SVCAAFDTKT46 GLRVAVKKLS56 RPFQSIIHAK 66 RTYRELRLLK76 HMKHENVIGL86 LDVFTPARSL96 EEFNDVYLVT106 HLMGADLNNI 116 VKSQKLTDDH126 VQFLIYQILR136 GLKYIHSADI146 IHRDLKPSNL156 AVNEDSELKI 166 LDFGATRWYR189 APEIMLNWMH199 YNQTVDIWSV209 GCIMAELLTG219 RTLFPGTDHI 229 DQLKLILRLV239 GTPGAELLKK249 ISSESARNYI259 QSLTQMPKMN269 FANVFIGANP 279 LAVDLLEKML289 VLDSDKRITA299 AQALAHAYFA309 QYHDPDDEPV319 ADPYDQSLES 329 RDLLIDEWKS339 LTYDEVISFV349 PPPL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3MH2 Mutagenesis of p38 MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [10] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGGSV38 CAAFDTKTGL48 RVAVKKLSRP58 FQSIIHAKRT 68 YRELRLLKHM78 KHENVIGLLD88 VFTPARSLEE98 FNDVYLVTHL108 MGADLNNIVK 118 CQKLTDDHVQ128 FLIYQILRGL138 KYIHSADIIH148 RDLKPSNLAV158 NEDCELKILD 168 YGTRWYRAPE192 IMLNWMHYNQ202 TVDIWSVGCI212 MAELLTGRTL222 FPGTDHIDQL 232 KLILRLVGTP242 GAELLKKISS252 ESARNYIQSL262 TQMPKMNFAN272 VFIGANPLAV 282 DLLEKMLVLD292 SDKRITAAQA302 LAHAYFAQYH312 DPDDEPVADP322 YDQSFESRDL 332 LIDEWKSLTY342 DEVISFVPPP352
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3ODZ Crystal structure of P38alpha Y323R active mutant | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [2] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSV38 CAAFDTKTGL48 RVAVKKLSRP58 FQSIIHAKRT 68 YRELRLLKHM78 KHENVIGLLD88 VFTPARSLEE98 FNDVYLVTHL108 MGADLNNIVK 118 CQKLTDDHVQ128 FLIYQILRGL138 KYIHSADIIH148 RDLKPSNLAV158 NEDCELKILD 168 FGLAVATRWY188 RAPEIMLNWM198 HYNQTVDIWS208 VGCIMAELLT218 GRTLFPGTDH 228 IDQLKLILRL238 VGTPGAELLK248 KISSESARNY258 IQSLTQMPKM268 NFANVFIGAN 278 PLAVDLLEKM288 LVLDSDKRIT298 AAQALAHAYF308 AQYHDPDDEP318 VADPRDQSFE 328 SRDLLIDEWK338 SLTYDEVISF348 VPPPL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .X:116 or .X:120 or .X:121 or .X:122 or .X:123 or .X:126 or .X:129 or .X:130 or .X:162 or .X:191 or .X:192 or .X:195 or .X:197 or .X:199 or .X:200 or .X:201 or .X:232 or .X:236 or .X:242 or .X:245 or .X:246 or .X:249 or .X:259 or .X:291 or .X:292 or .X:293 or .X:294 or .X:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE116
4.427
GLN120
3.109
LYS121
2.521
LEU122
3.699
THR123
3.527
HIS126
3.368
PHE129
3.588
LEU130
4.039
CYS162
3.750
PRO191
4.196
GLU192
3.857
LEU195
3.360
TRP197
3.687
HIS199
3.322
|
|||||
| PDB ID: 5MTY Dibenzosuberone inhibitor 8e in complex with p38 MAPK | ||||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | No | [4] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVSVCA40 AFDTKTGLRV50 AVKKLSRPFQ60 SIIHAKRTYR 70 ELRLLKHMKH80 ENVIGLLDVF90 TPARSLEEFN100 DVYLVTHLMG110 ADLNNIVKCQ 120 KLTDDHVQFL130 IYQILRGLKY140 IHSADIIHRD150 LKPSNLAVNE160 DCELKILDFG 170 TRWYRAPEIM194 LNWMHYNQTV204 DIWSVGCIMA214 ELLTGRTLFP224 GTDHIDQLKL 234 ILRLVGTPGA244 ELLKKISSES254 ARNYIQSLTQ264 MPKMNFANVF274 IGANPLAVDL 284 LEKMLVLDSD294 KRITAAQALA304 HAYFAQYHDP314 DDEPVADPYD324 QSFESRDLLI 334 DEWKSLTYDE344 VISFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:196 or .A:197 or .A:199 or .A:200 or .A:201 or .A:229 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:251 or .A:252 or .A:255 or .A:258 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
4.143
GLU192
3.623
LEU195
3.820
ASN196
3.440
TRP197
3.432
HIS199
2.811
TYR200
3.845
ASN201
4.162
ILE229
4.197
LEU232
4.026
LEU236
3.936
PRO242
4.403
LEU246
3.596
|
|||||
| PDB ID: 3L8S Human p38 MAP Kinase in Complex with CP-547632 | ||||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | Yes | [3] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG36 SVCAAFDTKT46 GLRVAVKKLS56 RPFQSIIHAK 66 RTYRELRLLK76 HMKHENVIGL86 LDVFTPARSL96 EEFNDVYLVT106 HLMGADLNNI 116 VKSQKLTDDH126 VQFLIYQILR136 GLKYIHSADI146 IHRDLKPSNL156 AVNEDSELKI 166 LDFVATRWYR189 APEIMLNWMH199 YNQTVDIWSV209 GCIMAELLTG219 RTLFPGTDHI 229 DQLKLILRLV239 GTPGAELLKK249 ISSESARNYI259 QSLTQMPKMN269 FANVFIGANP 279 LAVDLLEKML289 VLDSDKRITA299 AQALAHAYFA309 QYHDPDDEPV319 ADPYDQSLES 329 RDLLIDEWKS339 LTYDEVISFV349 PPPL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3HV7 Human p38 MAP Kinase in Complex with RL38 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [6] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGS37 VCAAFDTKTG47 LRVAVKKLSR57 PFQSIIHAKR 67 TYRELRLLKH77 MKHENVIGLL87 DVFTPARSLE97 EFNDVYLVTH107 LMGADLNNIK 121 LTDDHVQFLI131 YQILRGLKYI141 HSADIIHRDL151 KPSNLAVNED161 CELKILDFGL 171 VATRWYRAPE192 IMLNWMHYNQ202 TVDIWSVGCI212 MAELLTGRTL222 FPGTDHIDQL 232 KLILRLVGTP242 GAELLKKISS252 ESARNYIQSL262 TQMPKMNFAN272 VFIGANPLAV 282 DLLEKMLVLD292 SDKRITAAQA302 LAHAYFAQYH312 DPDDEPVADP322 YDQSFESRDL 332 LIDEWKSLTY342 DEVISFVPPP352
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
4.412
GLU192
3.690
LEU195
3.776
TRP197
3.426
MET198
4.614
HIS199
3.978
TYR200
3.400
ASN201
3.438
LEU232
4.563
LEU236
3.469
|
|||||
| PDB ID: 3IW7 Human p38 MAP Kinase in Complex with an Imidazo-pyridine | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [9] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSY35 GSVCAAFDTK45 TGLRVAVKKL55 SRPFQSIIHA 65 KRTYRELRLL75 KHMKHENVIG85 LLDVFTPARS95 LEEFNDVYLV105 THLMGADLNN 115 IVKSQKLTDD125 HVQFLIYQIL135 RGLKYIHSAD145 IIHRDLKPSN155 LAVNEDSELK 165 ILDFGLATRW187 YRAPEIMLNW197 MHYNQTVDIW207 SVGCIMAELL217 TGRTLFPGTD 227 HIDQLKLILR237 LVGTPGAELL247 KKISSESARN257 YIQSLTQMPK267 MNFANVFIGA 277 NPLAVDLLEK287 MLVLDSDKRI297 TAAQALAHAY307 FAQYHDPDDE317 PVADPYDQSL 327 ESRDLLIDEW337 KSLTYDEVIS347 FVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:70 or .A:74 or .A:75 or .A:78 or .A:83 or .A:84 or .A:141 or .A:146 or .A:147 or .A:148 or .A:149 or .A:166 or .A:167 or .A:168 or .A:169 or .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:229 or .A:236 or .A:242 or .A:246 or .A:249 or .A:255 or .A:258 or .A:259 or .A:262 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296 or .A:325; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG70
3.341
LEU74
4.292
LEU75
3.429
MET78
3.771
VAL83
3.318
ILE84
3.815
ILE141
4.265
ILE146
4.054
ILE147
2.802
HIS148
3.435
ARG149
2.431
ILE166
4.185
LEU167
4.285
ASP168
3.569
PHE169
3.879
PRO191
4.242
GLU192
3.468
LEU195
3.681
TRP197
3.275
|
|||||
| PDB ID: 3OBJ Conformational plasticity of p38 MAP kinase DFG mutants in response to inhibitor binding | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [24] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGGSV38 CAAFDTKTGL48 RVAVKKLSRP58 FQSIIHAKRT 68 YRELRLLKHM78 KHENVIGLLD88 VFTPARSLEE98 FNDVYLVTHL108 MGADLNNIVK 118 CQKLTDDHVQ128 FLIYQILRGL138 KYIHSADIIH148 RDLKPSNLAV158 NEDCELKILD 168 RGLATRWYRA190 PEIMLNWMHY200 NQTVDIWSVG210 CIMAELLTGR220 TLFPGTDHID 230 QLKLILRLVG240 TPGAELLKKI250 SSESARNYIQ260 SLTQMPKMNF270 ANVFIGANPL 280 AVDLLEKMLV290 LDSDKRITAA300 QALAHAYFAQ310 YHDPDDEPVA320 DPYDQSFESR 330 DLLIDEWKSL340 TYDEVISFVP350 PP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3UVP Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [25] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGS37 VCAAFDTKTG47 LRVAVKKLSR57 PFQSIIHAKR 67 TYRELRLLKH77 MKHENVIGLL87 DVFTPARSLE97 EFNDVYLVTH107 LMGADLNNIV 117 KCQKLTDDHV127 QFLIYQILRG137 LKYIHSADII147 HRDLKPSNLA157 VNEDCELKIL 167 DFGLVATRWY188 RAPEIMLNWM198 HYNQTVDIWS208 VGCIMAELLT218 GRTLFPGTDH 228 IDQLKLILRL238 VGTPGAELLK248 KISSESARNY258 IQSLTQMPKM268 NFANVFIGAN 278 PLAVDLLEKM288 LVLDSDKRIT298 AAQALAHAYF308 AQYHDPDDEP318 VADPYDQSFE 328 SRDLLIDEWK338 SLTYDEVISF348 VPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:229 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:251 or .A:252 or .A:255 or .A:258 or .A:259 or .A:262 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
4.093
GLU192
3.595
LEU195
3.364
ASN196
3.019
TRP197
3.392
MET198
3.699
HIS199
2.704
TYR200
3.599
ASN201
3.993
ILE229
3.463
LEU232
3.663
LEU236
3.950
PRO242
4.717
LEU246
3.505
|
|||||
| PDB ID: 3IW5 Human p38 MAP Kinase in Complex with an Indole Derivative | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [9] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSY35 GSVCAAFDTK45 TGLRVAVKKL55 SRPFQSIIHA 65 KRTYRELRLL75 KHMKHENVIG85 LLDVFTPARS95 LEEFNDVYLV105 THLMGADLNN 115 IVKSQKLTDD125 HVQFLIYQIL135 RGLKYIHSAD145 IIHRDLKPSN155 LAVNEDSELK 165 ILDFGLATRW187 YRAPEIMLNW197 MHYNQTVDIW207 SVGCIMAELL217 TGRTLFPGTD 227 HIDQLKLILR237 LVGTPGAELL247 KKISSESARN257 YIQSLTQMPK267 MNFANVFIGA 277 NPLAVDLLEK287 MLVLDSDKRI297 TAAQALAHAY307 FAQYHDPDDE317 PVADPYDQSL 327 ESRDLLIDEW337 KSLTYDEVIS347 FVPPPL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:229 or .A:233 or .A:236 or .A:242 or .A:246 or .A:249 or .A:255 or .A:258 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
4.422
GLU192
3.678
LEU195
3.993
TRP197
3.665
HIS199
2.413
TYR200
3.618
ASN201
4.483
ILE229
4.103
LYS233
3.226
LEU236
3.827
PRO242
3.982
|
|||||
| PDB ID: 3HV4 Human p38 MAP Kinase in Complex with RL51 | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [6] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG33 AYGSVCAAFD43 TKTGLRVAVK53 KLSRPFQSII 63 HAKRTYRELR73 LLKHMKHENV83 IGLLDVFTPA93 RSLEEFNDVY103 LVTHLMGADL 113 NNIVKCQKLT123 DDHVQFLIYQ133 ILRGLKYIHS143 ADIIHRDLKP153 SNLAVNEDCE 163 LKILDFGLAV183 ATRWYRAPEI193 MLNWMHYNQT203 VDIWSVGCIM213 AELLTGRTLF 223 PGTDHIDQLK233 LILRLVGTPG243 AELLKKISSE253 SARNYIQSLT263 QMPKMNFANV 273 FIGANPLAVD283 LLEKMLVLDS293 DKRITAAQAL303 AHAYFAQYHD313 PDDEPVADPY 323 DQSFESRDLL333 IDEWKSLTYD343 EVISFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:5 or .A:6 or .A:7 or .A:22 or .A:23 or .A:25 or .A:44 or .A:45 or .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG5
4.895
PRO6
3.707
THR7
2.929
GLU22
2.516
ARG23
4.155
GLN25
3.592
THR44
3.712
LYS45
4.898
PRO191
3.774
GLU192
3.812
LEU195
3.618
TRP197
3.659
HIS199
3.625
|
|||||
| PDB ID: 3LFB Human p38 MAP Kinase in Complex with RL98 | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [26] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSS37 VCAAFDTKTG47 LRVAVKKLSR57 PFQSIIHAKR 67 TYRELRLLKH77 MKHENVIGLL87 DVFTPARSLE97 EFNDVYLVTH107 LMGADLNNIV 117 KSQKLTDDHV127 QFLIYQILRG137 LKYIHSADII147 HRDLKPSNLA157 VNEDSELKIL 167 DFGATRWYRA190 PEIMLNWMHY200 NQTVDIWSVG210 CIMAELLTGR220 TLFPGTDHID 230 QLKLILRLVG240 TPGAELLKKI250 SSESARNYIQ260 SLTQMPKMNF270 ANVFIGANPL 280 AVDLLEKMLV290 LDSDKRITAA300 QALAHAYFAQ310 YHDPDDEPVA320 DPYDQSLESR 330 DLLIDEWKSL340 TYDEVISFVP350 PPL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3OD6 Crystal structure of p38alpha Y323T active mutant | ||||||
| Method | X-ray diffraction | Resolution | 2.68 Å | Mutation | Yes | [2] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSV38 CAAFDTKTGL48 RVAVKKLSRP58 FQSIIHAKRT 68 YRELRLLKHM78 KHENVIGLLD88 VFTPARSLEE98 FNDVYLVTHL108 MGADLNNIVK 118 CQKLTDDHVQ128 FLIYQILRGL138 KYIHSADIIH148 RDLKPSNLAV158 NEDCELKILD 168 FGLARHTDDE178 MTGYVATRWY188 RAPEIMLNWM198 HYNQTVDIWS208 VGCIMAELLT 218 GRTLFPGTDH228 IDQLKLILRL238 VGTPGAELLK248 KISSESARNY258 IQSLTQMPKM 268 NFANVFIGAN278 PLAVDLLEKM288 LVLDSDKRIT298 AAQALAHAYF308 AQYHDPDDEP 318 VADPTDQSFE328 SRDLLIDEWK338 SLTYDEVISF348 VPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .X:191 or .X:192 or .X:195 or .X:197 or .X:199 or .X:200 or .X:201 or .X:232 or .X:236 or .X:242 or .X:245 or .X:248 or .X:249 or .X:259 or .X:291 or .X:292 or .X:293 or .X:294 or .X:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3QUE Human p38 MAP Kinase in Complex with Skepinone-L | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [27] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGA34 YGSVCAAFDT44 KTGLRVAVKK54 LSRPFQSIIH 64 AKRTYRELRL74 LKHMKHENVI84 GLLDVFTPAR94 SLEEFNDVYL104 VTHLMGADLN 114 NIVKCQKLTD124 DHVQFLIYQI134 LRGLKYIHSA144 DIIHRDLKPS154 NLAVNEDCEL 164 KILDFGLARH174 TDVATRWYRA190 PEIMLNWMHY200 NQTVDIWSVG210 CIMAELLTGR 220 TLFPGTDHID230 QLKLILRLVG240 TPGAELLKKI250 SSESARNYIQ260 SLTQMPKMNF 270 ANVFIGANPL280 AVDLLEKMLV290 LDSDKRITAA300 QALAHAYFAQ310 YHDPDDEPVA 320 DPYDQSFESR330 DLLIDEWKSL340 TYDEVISFVP350 PPL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:35 or .A:74 or .A:75 or .A:78 or .A:83 or .A:84 or .A:141 or .A:146 or .A:147 or .A:148 or .A:149 or .A:150 or .A:166 or .A:167 or .A:168 or .A:169 or .A:189 or .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:235 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR35
3.721
LEU74
3.890
LEU75
4.511
MET78
4.304
VAL83
4.169
ILE84
4.311
ILE141
3.768
ILE146
4.273
ILE147
4.814
HIS148
2.669
ARG149
3.080
ASP150
3.665
ILE166
4.347
LEU167
4.394
ASP168
3.934
PHE169
3.583
ARG189
2.628
PRO191
3.694
GLU192
3.624
|
|||||
| PDB ID: 3LFC Human p38 MAP Kinase in Complex with RL99 | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [28] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSS37 VCAAFDTKTG47 LRVAVKKLSR57 PFQSIIHAKR 67 TYRELRLLKH77 MKHENVIGLL87 DVFTPARSLE97 EFNDVYLVTH107 LMGADLNNIV 117 KSQKLTDDHV127 QFLIYQILRG137 LKYIHSADII147 HRDLKPSNLA157 VNEDSELKIL 167 DFGATRWYRA190 PEIMLNWMHY200 NQTVDIWSVG210 CIMAELLTGR220 TLFPGTDHID 230 QLKLILRLVG240 TPGAELLKKI250 SSESARNYIQ260 SLTQMPKMNF270 ANVFIGANPL 280 AVDLLEKMLV290 LDSDKRITAA300 QALAHAYFAQ310 YHDPDDEPVA320 DPYDQSLESR 330 DLLIDEWKSL340 TYDEVISFVP350 PPLD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3LFD Human p38 MAP Kinase in Complex with RL113 | ||||||
| Method | X-ray diffraction | Resolution | 3.40 Å | Mutation | Yes | [29] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSV38 CAAFDTKTGL48 RVAVKKLSRP58 FQSIIHAKRT 68 YRELRLLKHM78 KHENVIGLLD88 VFTPARSLEE98 FNDVYLVTHL108 MGADLNNIVK 118 SQKLTDDHVQ128 FLIYQILRGL138 KYIHSADIIH148 RDLKPSNLAV158 NEDSELKILD 168 FATRWYRAPE192 IMLNWMHYNQ202 TVDIWSVGCI212 MAELLTGRTL222 FPGTDHIDQL 232 KLILRLVGTP242 GAELLKKISS252 ESARNYIQSL262 TQMPKMNFAN272 VFIGANPLAV 282 DLLEKMLVLD292 SDKRITAAQA302 LAHAYFAQYH312 DPDDEPVADP322 YDQSLESRDL 332 LIDEWKSLTY342 DEVISFVPPP352 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3ZS5 Structural basis for kinase selectivity of three clinical p38alpha inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [30] |
| PDB Sequence |
HSQERPTFYR
10 QELNKTIWEV20 PERYQNLSPV30 GSGAYGSVCA40 AFDTKTGLRV50 AVKKLSRPFQ 60 SIIHAKRTYR70 ELRLLKHMKH80 ENVIGLLDVF90 TPARSLEEFN100 DVYLVTHLMG 110 ADLNNIVKCQ120 KLTDDHVQFL130 IYQILRGLKY140 IHSADIIHRD150 LKPSNLAVNE 160 DCELKILDFG170 LATRWYRAPE192 IMLNWMHYNQ202 TVDIWSVGCI212 MAELLTGRTL 222 FPGTDHIDQL232 KLILRLVGTP242 GAELLKKISS252 ESARNYIQSL262 TQMPKMNFAN 272 VFIGANPLAV282 DLLEKMLVLD292 SDKRITAAQA302 LAHAYFAQYH312 DPDDEPVADP 322 YDQSFESRDL332 LIDEWKSLTY342 DEVISFVPPP352
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:70 or .A:74 or .A:78 or .A:83 or .A:84 or .A:141 or .A:146 or .A:147 or .A:148 or .A:166 or .A:167 or .A:168 or .A:191 or .A:192 or .A:195 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:262 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296 or .A:325 or .A:328; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG70
3.918
LEU74
4.195
MET78
4.661
VAL83
4.273
ILE84
3.833
ILE141
4.059
ILE146
3.417
ILE147
3.726
HIS148
3.841
ILE166
3.736
LEU167
3.576
ASP168
3.721
PRO191
4.542
GLU192
3.787
LEU195
3.886
TRP197
3.519
MET198
3.219
|
|||||
| PDB ID: 6HWT Crystal structure of p38alpha in complex with a reduced photoswitchable 2-Azothiazol-based Inhibitor (compound 31) | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [31] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSAY35 GSVCAAFDTK45 TGLRVAVKKL55 SRPFQSIIHA 65 KRTYRELRLL75 KHMKHENVIG85 LLDVFTPARS95 LEEFNDVYLV105 THLMGADLNN 115 IVKCQKLTDD125 HVQFLIYQIL135 RGLKYIHSAD145 IIHRDLKPSN155 LAVNEDCELK 165 ILDFGLARTR186 WYRAPEIMLN196 WMHYNQTVDI206 WSVGCIMAEL216 LTGRTLFPGT 226 DHIDQLKLIL236 RLVGTPGAEL246 LKKISSESAR256 NYIQSLTQMP266 KMNFANVFIG 276 ANPLAVDLLE286 KMLVLDSDKR296 ITAAQALAHA306 YFAQYHDPDD316 EPVADPYDQS 326 FESRDLLIDE336 WKSLTYDEVI346 SFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:22 or .A:23 or .A:25 or .A:44 or .A:45 or .A:74 or .A:75 or .A:78 or .A:83 or .A:84 or .A:141 or .A:146 or .A:147 or .A:148 or .A:149 or .A:166 or .A:167 or .A:168 or .A:191 or .A:192 or .A:195 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLU22
3.936
ARG23
4.287
GLN25
3.306
THR44
3.091
LYS45
4.207
LEU74
3.967
LEU75
3.918
MET78
3.777
VAL83
3.983
ILE84
3.409
ILE141
3.492
ILE146
3.245
ILE147
3.354
HIS148
3.751
ARG149
3.699
ILE166
4.088
LEU167
3.978
ASP168
3.448
|
|||||
| PDB ID: 6HWV Crystal structure of p38alpha in complex with a photoswitchable 2-Azoimidazol-based Inhibitor (compound 3) | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [31] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGA34 YGSVCAAFDT44 KTGLRVAVKK54 LSRPFQSIIH 64 AKRTYRELRL74 LKHMKHENVI84 GLLDVFTPAR94 SLEEFNDVYL104 VTHLMGADLN 114 NIVKCQKLTD124 DHVQFLIYQI134 LRGLKYIHSA144 DIIHRDLKPS154 NLAVNEDCEL 164 KILDFGLATR186 WYRAPEIMLN196 WMHYNQTVDI206 WSVGCIMAEL216 LTGRTLFPGT 226 DHIDQLKLIL236 RLVGTPGAEL246 LKKISSESAR256 NYIQSLTQMP266 KMNFANVFIG 276 ANPLAVDLLE286 KMLVLDSDKR296 ITAAQALAHA306 YFAQYHDPDD316 EPVADPYDQS 326 FESRDLLIDE336 WKSLTYDEVI346 SFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:7 or .A:22 or .A:23 or .A:25 or .A:44 or .A:74 or .A:78 or .A:83 or .A:84 or .A:141 or .A:146 or .A:147 or .A:148 or .A:149 or .A:150 or .A:155 or .A:166 or .A:167 or .A:168 or .A:191 or .A:192 or .A:195 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:262 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR7
4.955
GLU22
3.529
ARG23
3.811
GLN25
3.812
THR44
3.588
LEU74
3.875
MET78
3.538
VAL83
3.786
ILE84
3.591
ILE141
3.820
ILE146
3.466
ILE147
3.655
HIS148
2.812
ARG149
3.381
ASP150
4.102
ASN155
4.771
ILE166
4.003
LEU167
4.028
ASP168
3.249
PRO191
4.354
|
|||||
| PDB ID: 3ZSG X-ray structure of p38alpha bound to TAK-715 | ||||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [30] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG33 AYGSVCAAFD43 TKTGLRVAVK53 KLSRPFQSII 63 HAKRTYRELR73 LLKHMKHENV83 IGLLDVFTPA93 RSLEEFNDVY103 LVTHLMGADL 113 NNIVKCQKLT123 DDHVQFLIYQ133 ILRGLKYIHS143 ADIIHRDLKP153 SNLAVNEDCE 163 LKILDFGLAT185 RWYRAPEIML195 NWMHYNQTVD205 IWSVGCIMAE215 LLTGRTLFPG 225 TDHIDQLKLI235 LRLVGTPGAE245 LLKKISSESA255 RNYIQSLTQM265 PKMNFANVFI 275 GANPLAVDLL285 EKMLVLDSDK295 RITAAQALAH305 AYFAQYHDPD315 DEPVADPYDQ 325 SFESRDLLID335 EWKSLTYDEV345 ISFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3ZSH X-ray structure of p38alpha bound to SCIO-469 | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [30] |
| PDB Sequence |
ERPTFYRQEL
13 IWEVPERYQN26 LSPVGSGAYG36 SVCAAFDTKT46 GLRVAVKKLS56 RPFQSIIHAK 66 RTYRELRLLK76 HMKHENVIGL86 LDVFTPARSL96 EEFNDVYLVT106 HLMGADLNNI 116 VKCQKLTDDH126 VQFLIYQILR136 GLKYIHSADI146 IHRDLKPSNL156 AVNEDCELKI 166 LDATRWYRAP191 EIMLNWMHYN201 QTVDIWSVGC211 IMAELLTGRT221 LFPGTDHIDQ 231 LKLILRLVGT241 PGAELLKKIS251 SESARNYIQS261 LTQMPKMNFA271 NVFIGANPLA 281 VDLLEKMLVL291 DSDKRITAAQ301 ALAHAYFAQY311 HDPDDEPVAD321 PYDQSFESRD 331 LLIDEWKSLT341 YDEVISFVPP351 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6HWU Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-based Inhibitor (compound 2) | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [31] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGA34 YGSVCAAFDT44 KTGLRVAVKK54 LSRPFQSIIH 64 AKRTYRELRL74 LKHMKHENVI84 GLLDVFTPAR94 SLEEFNDVYL104 VTHLMGADLN 114 NILTDDHVQF129 LIYQILRGLK139 YIHSADIIHR149 DLKPSNLAVN159 EDCELKILDF 169 GLVATRWYRA190 PEIMLNWMHY200 NQTVDIWSVG210 CIMAELLTGR220 TLFPGTDHID 230 QLKLILRLVG240 TPGAELLKKI250 SSESARNYIQ260 SLTQMPKMNF270 ANVFIGANPL 280 AVDLLEKMLV290 LDSDKRITAA300 QALAHAYFAQ310 YHDPDDEPVA320 DPYDQSFESR 330 DLLIDEWKSL340 TYDEVISFVP350 PPL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:7 or .A:22 or .A:23 or .A:25 or .A:44 or .A:45 or .A:70 or .A:74 or .A:75 or .A:78 or .A:83 or .A:84 or .A:141 or .A:146 or .A:147 or .A:148 or .A:149 or .A:166 or .A:167 or .A:168 or .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296 or .A:325 or .A:328; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR7
4.928
GLU22
3.799
ARG23
3.976
GLN25
3.486
THR44
3.512
LYS45
4.941
ARG70
3.535
LEU74
3.713
LEU75
4.590
MET78
3.356
VAL83
3.506
ILE84
3.590
ILE141
4.205
ILE146
3.393
ILE147
3.815
HIS148
3.604
ARG149
3.252
ILE166
3.954
LEU167
3.348
ASP168
3.287
|
|||||
| PDB ID: 3ZSI X-ray structure of p38alpha bound to VX-745 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [30] |
| PDB Sequence |
PTFYRQELNK
15 TIWEVPERYQ25 NLSPVGSGAY35 GSVCAAFDTK45 TGLRVAVKKL55 SRPFQSIIHA 65 KRTYRELRLL75 KHMKHENVIG85 LLDVFTPARS95 LEEFNDVYLV105 THLMGADLNN 115 IKLTDDHVQF129 LIYQILRGLK139 YIHSADIIHR149 DLKPSNLAVN159 EDCELKILDF 169 GLTRWYRAPE192 IMLNWMHYNQ202 TVDIWSVGCI212 MAELLTGRTL222 FPGTDHIDQL 232 KLILRLVGTP242 GAELLKKISS252 ESARNYIQSL262 KMNFANVFIG276 ANPLAVDLLE 286 KMLVLDSDKR296 ITAAQALAHA306 YFAQYHDPDD316 EPVADPYDQS326 FESRDLLIDE 336 WKSLTYDEVI346 SFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:235 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
3.778
GLU192
3.910
LEU195
3.751
TRP197
3.757
HIS199
3.223
TYR200
3.982
ASN201
3.735
LEU232
3.414
ILE235
4.801
LEU236
3.838
|
|||||
| PDB ID: 6QYX p38(alpha) MAP kinase with the activation loop of ERK2 | ||||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [32] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG33 AYGSVCAAFD43 TKTGLRVAVK53 KLSRPFQSII 63 HAKRTYRELR73 LLKHMKHENV83 IGLLDVFTPA93 RSLEEFNDVY103 LVTHLMGADL 113 NNIVKCQKLT123 DDHVQFLIYQ133 ILRGLKYIHS143 ADIIHRDLKP153 SNLAVNEDCE 163 LKICDFGLAV189 ATRWYRAPEI199 MLNWMHYNQT209 VDIWSVGCIM219 AELLTGRTLF 229 PGTDHIDQLK239 LILRLVGTPG249 AELLKKISSE259 SARNYIQSLT269 QMPKMNFANV 279 FIGANPLAVD289 LLEKMLVLDS299 DKRITAAQAL309 AHAYFAQYHD319 PDDEPVADPY 329 DQSFESRDLL339 IDEWKSLTYD349 EVISFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:197 or .A:198 or .A:201 or .A:203 or .A:205 or .A:206 or .A:207 or .A:238 or .A:242 or .A:248 or .A:252 or .A:255 or .A:265 or .A:297 or .A:298 or .A:299 or .A:300 or .A:302; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2FST mitogen activated protein kinase p38alpha (D176A+F327L) activating mutant | ||||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | Yes | [33] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGGSV38 CAAFDTKTGL48 RVAVKKLSRP58 FQSIIHAKRT 68 YRELRLLKHM78 KHENVIGLLD88 VFTPARSLEE98 FNDVYLVTHL108 MGADLNQKLT 123 DDHVQFLIYQ133 ILRGLKYIHS143 ADIIHRDLKP153 SNLAVNEDCE163 LKILDATRWY 188 RAPEIMLNWM198 HYNQTVDIWS208 VGCIMAELLT218 GRTLFPGTDH228 IDQLKLILRL 238 VGTPGAELLK248 KISSESARNY258 IQSLTQMPKM268 NFANVFIGAN278 PLAVDLLEKM 288 LVLDSDKRIT298 AAQALAHAYF308 AQYHDPDDEP318 VADPYDQSLE328 SRDLLIDEWK 338 SLTYDEVISF348 VPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .X:70 or .X:74 or .X:75 or .X:78 or .X:83 or .X:84 or .X:141 or .X:146 or .X:147 or .X:148 or .X:149 or .X:166 or .X:167 or .X:168 or .X:191 or .X:192 or .X:195 or .X:197 or .X:198 or .X:199 or .X:200 or .X:201 or .X:229 or .X:233 or .X:236 or .X:242 or .X:246 or .X:249 or .X:255 or .X:258 or .X:259 or .X:262 or .X:291 or .X:292 or .X:293 or .X:294 or .X:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG70
4.293
LEU74
4.349
LEU75
3.823
MET78
3.513
VAL83
3.567
ILE84
3.412
ILE141
4.181
ILE146
3.748
ILE147
2.775
HIS148
2.735
ARG149
2.978
ILE166
4.282
LEU167
4.542
ASP168
3.376
PRO191
4.490
GLU192
3.654
LEU195
3.662
TRP197
3.596
MET198
3.808
|
|||||
| PDB ID: 4GEO P38a MAP kinase DEF-pocket penta mutant (M194A, L195A, H228A, I229A, Y258A) | ||||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | Yes | [34] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSVC39 AAFDTKTGLR49 VAVKKLSRPF59 QSIIHAKRTY 69 RELRLLKHMK79 HENVIGLLDV89 FTPARSLEEF99 NDVYLVTHLM109 GADLNNIKLT 123 DDHVQFLIYQ133 ILRGLKYIHS143 ADIIHRDLKP153 SNLAVNEDCE163 LKILDFGLAT 185 RWYRAPEIAA195 NWMHYNQTVD205 IWSVGCIMAE215 LLTGRTLFPG225 TDAADQLKLI 235 LRLVGTPGAE245 LLKKISSESA255 RNAIQSLTQM265 PKMNFANVFI275 GANPLAVDLL 285 EKMLVLDSDK295 RITAAQALAH305 AYFAQYHDPD315 DEPVADPYDQ325 SFESRDLLID 335 EWKSLTYDEV345 ISFVPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:232 or .A:236 or .A:242 or .A:246 or .A:249 or .A:250 or .A:251 or .A:252 or .A:255 or .A:258 or .A:259 or .A:262 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
4.261
GLU192
3.904
ALA195
3.386
ASN196
2.904
TRP197
3.601
MET198
3.015
HIS199
3.069
TYR200
3.605
ASN201
3.133
LEU232
3.490
LEU236
4.051
PRO242
3.722
LEU246
3.067
|
|||||
| PDB ID: 2FSL mitogen activated protein kinase p38alpha (D176A+F327S) activating mutant form-A | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [33] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG33 AGSVCAAFDT44 KTGLRVAVKK54 LSRPFQSIIH 64 AKRTYRELRL74 LKHMKHENVI84 GLLDVFTPAR94 SLEEFNDVYL104 VTHLMGADLN 114 NQKLTDDHVQ128 FLIYQILRGL138 KYIHSADIIH148 RDLKPSNLAV158 NEDCELKILD 168 VATRWYRAPE192 IMLNWMHYNQ202 TVDIWSVGCI212 MAELLTGRTL222 FPGTDHIDQL 232 KLILRLVGTP242 GAELLKKISS252 ESARNYIQSL262 TQMPKMNFAN272 VFIGANPLAV 282 DLLEKMLVLD292 SDKRITAAQA302 LAHAYFAQYH312 DPDDEPVADP322 YDQSSESRDL 332 LIDEWKSLTY342 DEVISFVPPP352 LD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .X:191 or .X:192 or .X:195 or .X:197 or .X:198 or .X:199 or .X:200 or .X:201 or .X:232 or .X:236 or .X:242 or .X:246 or .X:249 or .X:259 or .X:291 or .X:292 or .X:293 or .X:294 or .X:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2NPQ A Novel Lipid Binding Site in the p38 alpha MAP Kinase | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [35] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGSG36 SVCAAFDTKT46 GLRVAVKKLS56 RPFQSIIHAK 66 RTYRELRLLK76 HMKHENVIGL86 LDVFTPARSL96 EEFNDVYLVT106 HLMGADLNQK 121 LTDDHVQFLI131 YQILRGLKYI141 HSADIIHRDL151 KPSNLAVNED161 CELKILDFAT 185 RWYRAPEIML195 NWMHYNQTVD205 IWSVGCIMAE215 LLTGRTLFPG225 TDHIDQLKLI 235 LRLVGTPGAE245 LLKKISSESA255 RNYIQSLTQM265 PKMNFANVFI275 GANPLAVDLL 285 EKMLVLDSDK295 RITAAQALAH305 AYFAQYHDPD315 DEPVADPYDQ325 SFESRDLLID 335 EWKSLTYDEV345 ISFVPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:229 or .A:232 or .A:233 or .A:236 or .A:242 or .A:246 or .A:249 or .A:255 or .A:258 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
4.180
GLU192
4.034
LEU195
3.738
TRP197
3.603
MET198
4.172
HIS199
3.152
TYR200
3.961
ASN201
2.553
ILE229
3.406
LEU232
4.352
LYS233
4.487
LEU236
4.082
|
|||||
| PDB ID: 2FSO mitogen activated protein kinase p38alpha (D176A) activating mutant | ||||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | Yes | [33] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSGS37 VCAAFDTKTG47 LRVAVKKLSR57 PFQSIIHAKR 67 TYRELRLLKH77 MKHENVIGLL87 DVFTPARSLE97 EFNDVYLVTH107 LMGADLNKLT 123 DDHVQFLIYQ133 ILRGLKYIHS143 ADIIHRDLKP153 SNLAVNEDCE163 LKILDATRWY 188 RAPEIMLNWM198 HYNQTVDIWS208 VGCIMAELLT218 GRTLFPGTDH228 IDQLKLILRL 238 VGTPGAELLK248 KISSESARNY258 IQSLTQMPKM268 NFANVFIGAN278 PLAVDLLEKM 288 LVLDSDKRIT298 AAQALAHAYF308 AQYHDPDDEP318 VADPYDQSFE328 SRDLLIDEWK 338 SLTYDEVISF348 VPPPL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .X:191 or .X:192 or .X:195 or .X:197 or .X:198 or .X:199 or .X:200 or .X:201 or .X:232 or .X:236 or .X:242 or .X:246 or .X:249 or .X:259 or .X:262 or .X:291 or .X:292 or .X:293 or .X:294 or .X:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO191
4.250
GLU192
3.695
LEU195
3.581
TRP197
3.615
MET198
3.829
HIS199
2.408
TYR200
3.596
ASN201
3.306
LEU232
4.782
LEU236
3.870
|
|||||
| PDB ID: 2FSM mitogen activated protein kinase p38alpha (D176A+F327S) activating mutant form-B | ||||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | Yes | [33] |
| PDB Sequence |
ERPTFYRQEL
13 NKTIWEVPER23 YQNLSPVGGS37 VCAAFDTKTG47 LRVAVKKLSR57 PFQSIIHAKR 67 TYRELRLLKH77 MKHENVIGLL87 DVFTPARSLE97 EFNDVYLVTH107 LMGADLNNKL 122 TDDHVQFLIY132 QILRGLKYIH142 SADIIHRDLK152 PSNLAVNEDC162 ELKILDFATR 186 WYRAPEIMLN196 WMHYNQTVDI206 WSVGCIMAEL216 LTGRTLFPGT226 DHIDQLKLIL 236 RLVGTPGAEL246 LKKISSESAR256 NYIQSLTQMP266 KMNFANVFIG276 ANPLAVDLLE 286 KMLVLDSDKR296 ITAAQALAHA306 YFAQYHDPDD316 EPVADPYDQS326 SESRDLLIDE 336 WKSLTYDEVI346 SFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .X:191 or .X:192 or .X:195 or .X:197 or .X:198 or .X:199 or .X:200 or .X:201 or .X:232 or .X:236 or .X:242 or .X:246 or .X:249 or .X:259 or .X:291 or .X:292 or .X:293 or .X:294 or .X:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3HEC P38 in complex with Imatinib | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [36] |
| PDB Sequence |
RPTFYRQELN
14 KTIWEVPERY24 QNLSPVGSVC39 AAFDTKTGLR49 VAVKKLSRPF59 QSIIHAKRTY 69 RELRLLKHMK79 HENVIGLLDV89 FTPARSLEEF99 NDVYLVTHLM109 GADLNNIVKC 119 QKLTDDHVQF129 LIYQILRGLK139 YIHSADIIHR149 DLKPSNLAVN159 EDCELKILDF 169 ATRWYRAPEI193 MLNWMHYNQT203 VDIWSVGCIM213 AELLTGRTLF223 PGTDHIDQLK 233 LILRLVGTPG243 AELLKKISSE253 SARNYIQSLT263 QMPKMNFANV273 FIGANPLAVD 283 LLEKMLVLDS293 DKRITAAQAL303 AHAYFAQYHD313 PDDEPVADPY323 DQSFESRDLL 333 IDEWKSLTYD343 EVISFVPPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:191 or .A:192 or .A:195 or .A:197 or .A:199 or .A:200 or .A:201 or .A:232 or .A:235 or .A:236 or .A:242 or .A:246 or .A:249 or .A:259 or .A:291 or .A:292 or .A:293 or .A:294 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha | ||||
| REF 2 | Active mutants of the TCR-mediated p38Alpha alternative activation site show changes in the phosphorylation lip and DEF site formation. J Mol Biol. 2011 Feb 4;405(5):1154-69. | ||||
| REF 3 | Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations. J Am Chem Soc. 2010 Mar 31;132(12):4152-60. | ||||
| REF 4 | Design, Synthesis, and Biological Evaluation of Novel Type I(1)/(2) p38Alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine. J Med Chem. 2017 Oct 12;60(19):8027-8054. | ||||
| REF 5 | Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1Delta and Their Structural Relation to p38Alpha MAPK. Molecules. 2017 Mar 24;22(4):522. | ||||
| REF 6 | Displacement assay for the detection of stabilizers of inactive kinase conformations. J Med Chem. 2010 Jan 14;53(1):357-67. | ||||
| REF 7 | Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes. Bioorg Med Chem Lett. 2005 Dec 1;15(23):5274-9. | ||||
| REF 8 | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J Am Chem Soc. 2009 Sep 23;131(37):13286-96. | ||||
| REF 9 | High-throughput screening to identify inhibitors which stabilize inactive kinase conformations in p38alpha. J Am Chem Soc. 2009 Dec 30;131(51):18478-88. | ||||
| REF 10 | Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state. Biochemistry. 2007 May 15;46(19):5687-96. | ||||
| REF 11 | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | ||||
| REF 12 | Structure-based design and synthesis of cell active N-pyrazole, N-thiazole urea inhibitors of the MAP kinase p38alpha | ||||
| REF 13 | Resolving the selectivity problem for p38 mitogen activated protein (MAP) Kinase-inhibitors: Development of new highly potent inhibitors of p38 MAP kinase with an outstanding selectivity profile | ||||
| REF 14 | Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38Alpha MAPK inhibitors. Biochem Biophys Res Commun. 2019 Apr 9;511(3):579-586. | ||||
| REF 15 | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha | ||||
| REF 16 | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | ||||
| REF 17 | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | ||||
| REF 18 | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | ||||
| REF 19 | Human p38 MAP Kinase in Complex with KM064 | ||||
| REF 20 | Metabolically stable dibenzo[b,e]oxepin-11(6H)-ones as highly selective p38 MAP kinase inhibitors: optimizing anti-cytokine activity in human whole blood. J Med Chem. 2013 Nov 14;56(21):8561-78. | ||||
| REF 21 | Optimized Target Residence Time: Type?I1/2 Inhibitors for p38Alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine. Angew Chem Int Ed Engl. 2017 May 2;56(19):5363-5367. | ||||
| REF 22 | Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity. J Med Chem. 2013 Jan 10;56(1):241-53. | ||||
| REF 23 | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha | ||||
| REF 24 | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | ||||
| REF 25 | Targeting the hinge glycine flip and the activation loop: novel approach to potent p38Alpha inhibitors. J Med Chem. 2012 Sep 13;55(17):7862-74. | ||||
| REF 26 | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha | ||||
| REF 27 | Skepinone-L is a selective p38 mitogen-activated protein kinase inhibitor. Nat Chem Biol. 2011 Dec 25;8(2):141-3. | ||||
| REF 28 | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha | ||||
| REF 29 | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha | ||||
| REF 30 | X-ray structure of p38Alpha bound to TAK-715: comparison with three classic inhibitors. Acta Crystallogr D Biol Crystallogr. 2012 Aug;68(Pt 8):1041-50. | ||||
| REF 31 | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach. Photochem Photobiol Sci. 2019 Jun 12;18(6):1398-1407. | ||||
| REF 32 | The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop. J Biol Chem. 2020 Jul 10;295(28):9409-9420. | ||||
| REF 33 | Structures of p38alpha active mutants reveal conformational changes in L16 loop that induce autophosphorylation and activation. J Mol Biol. 2007 Jan 5;365(1):66-76. | ||||
| REF 34 | P38a MAP kinase DEF-pocket penta mutant (M194A, L195A, H228A, I229A, Y258A) | ||||
| REF 35 | A novel lipid binding site formed by the MAP kinase insert in p38 alpha. J Mol Biol. 2008 Jan 4;375(1):70-9. | ||||
| REF 36 | Analysis of imatinib and sorafenib binding to p38alpha compared with c-Abl and b-Raf provides structural insights for understanding the selectivity of inhibitors targeting the DFG-out form of protein kinases. Biochemistry. 2010 May 4;49(17):3611-8. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.